Acta Crystallographica Section E: Crystallographic Communications最新文献_第8页

Synthesis, crystal structure and thermal reactivity of diaquadithiocyanatobis(pyridine-4-carbonitrile)cobalt(II) 二水-二硫代-氰基-二（吡啶-4-碳腈）钴的合成、晶体结构和热反应性。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026007371

Christian Näther

{"title":"Synthesis, crystal structure and thermal reactivity of diaquadithiocyanatobis(pyridine-4-carbonitrile)cobalt(II)","authors":"Christian Näther","doi":"10.1107/S2056989026007371","DOIUrl":"10.1107/S2056989026007371","url":null,"abstract":"<div><div>The title compound, [Co(NCS)2(C6H4N2)2(H2O)2], is isotypic to its Ni analog and to one of the two modifications of Mn(NCS)2(4-cyanopyridine)(H2O)2 reported recently [Näther (2026#). Acta Cryst. E82, 441–445 and Wellm et al. (2020#). Cryst. Growth Des.20, 3374–3385]. Its asymmetric unit is built up of one cobalt cation that occupies a center of inversion, one thiocyanate anion, one neutral 4-cyanopyridine coligand and one water molecule that are located in general positions. The metal cations are sixfold coordinated by two terminally N-bonding thiocyanate anions, two water molecules and two 4-cyanopyridine coligands within a slightly distorted octahedral geometry. The discrete complexes are linked by intermolecular O—H⋯S hydrogen bonding into layers that condense into a three-dimensional network via weak C—H⋯N interactions. Powder X-ray diffraction (PXRD) proves that a pure sample has been obtained. Thermogravimetric measurements reveal that the title compound decomposes in different steps, in which compounds with the composition Co(NCS)2(4-cyanopyridine)2 and Co(NCS)2(4-cyanopyridine) are formed as intermediates, which are not isotypic to the corresponding Mn compounds already reported in the literature [Wellm et al. (2020#). Cryst. Growth Des.20, 3374–3385].</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 8","pages":"Pages 952-956"},"PeriodicalIF":0.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148683205","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, crystal structure and Hirshfeld surface analysis of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-fluorophenyl)acetamide (phenytoin analog) 2-（2,5-二氧基-4,4-二苯基-咪唑烷-1-基）- n-（4-氟-苯基）乙酰胺（苯托英类似物）的合成、晶体结构和Hirshfeld表面分析。

IF 0.5

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006201

Hajar Ouabane, Chiara Massera, Walid Guerrab, Abdulsalam Alsubari, Joel T. Mague, Youssef Ramli

{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-fluorophenyl)acetamide (phenytoin analog)","authors":"Hajar Ouabane, Chiara Massera, Walid Guerrab, Abdulsalam Alsubari, Joel T. Mague, Youssef Ramli","doi":"10.1107/S2056989026006201","DOIUrl":"10.1107/S2056989026006201","url":null,"abstract":"<div><div>The title phenytoin analog 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-fluorophenyl)acetamide, C23H18FN3O3, was synthesized by alkylation of phenytoin with 2-chloro-N-(4-fluorophenyl)acetamide under phase-transfer catalysis conditions and crystallized as colorless blocks in the monoclinic space group P21/c. In the molecular structure, the imidazolidine ring shows a slight departure from planarity, adopting a twist conformation, while the two phenyl substituents are markedly inclined to the mean plane of the heterocyclic ring. The N-substituted 4-fluorophenylacetamide fragment projects away from the imidazolidine core, with its conformation partly consolidated by an intramolecular C—H⋯O contact. In the crystal packing, pairs of inversion-related molecules are linked through N—H⋯O hydrogen bonds to form dimers, which are further connected by additional N—H⋯O interactions into layers extending parallel to the bc plane. These layers stack along the a-axis direction through normal van der Waals contacts. Hirshfeld surface analysis was used to quantify the intermolecular interactions, showing that H⋯H contacts give the largest contribution to the crystal packing, followed by C⋯H/H⋯C and O⋯H/H⋯O contacts, the latter being associated with the classical N—H⋯O hydrogen bonds. F⋯H/H⋯F interactions also contribute to the packing, mainly through contacts between adjacent molecular layers.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 840-844"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, crystal structure and Hirshfeld surface analysis of N-(2,6-dimethylphenyl)-2-morpholinoacetamide, a Lidocaine analog 利多卡因类似物N-（2,6-二甲基苯基）-2-morpholinoacetamide的合成、晶体结构和Hirshfeld表面分析。

IF 0.5

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006043

Imane Maimoune, Abderrazzak El Moutaouakil Ala Allah, Benson M. Kariuki, Abdulsalam Alsubari, Joel T. Mague, Abdelkader Zarrouk, Youssef Ramli

引用次数: 0

From an unusual organotin(IV) coordination compound to the first ionic organic–inorganic mixed-valent tin(IV)–tin(II) compound 从一个不寻常的有机锡（IV）配位化合物到第一个离子有机-无机混价锡(IV)-锡（II）化合物。

IF 0.5

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006596

Daniel Schwarte, Swantje Warf, Martin Reichelt, Hans Reuter

{"title":"From an unusual organotin(IV) coordination compound to the first ionic organic–inorganic mixed-valent tin(IV)–tin(II) compound","authors":"Daniel Schwarte, Swantje Warf, Martin Reichelt, Hans Reuter","doi":"10.1107/S2056989026006596","DOIUrl":"10.1107/S2056989026006596","url":null,"abstract":"<div><div>In the search for complexes of the monoorganotin(IV) triiodides, RSnI3, with Lewis bases, LB, a 1:3 complex was was obtained for the first time in the case of isopropyltin(IV) triiodide, iPrSnI3, and LB = pyridine-N-oxide, PyNO. The compound, diiodido(isopropyl)tris(pyridine N-oxide)tin(III) iodide, [Sn(C3H7)I2(C5H5NO)3]I, has an ionic structure and consists of a previously unknown [iPrSn(pyNO)3]+ and an isolated I− ion. The novel cation exhibits a facial arrangement of the PyNO molecules and a cis arrangement of the iodine atoms. In CDCl3, over the course of several weeks, this compound gives rise to a new, second compound, also of ionic structure, containing an triiodidostannate(II) ion, [SnI3]−, and a solvent molecule in addition to the already known cation, namely, diiodido(isopropyl)tris(pyridine N-oxide)tin(IV) triiodidostannate(II) deuterochloroform monosolvate, [Sn(C3H7)I2(C5H5NO)3][SnI3]·CDCl3. The anion exhibits a trigonal–pyramidal structure in order to achieve a stable electron octet at the divalent tin atom but is associated in the crystal via tetrel bonds into one-dimensional chains in which the tin atoms exhibit a 33-aaa coordination mode.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 888-892"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis and crystal structure determination of aluminium hydroxide methanesulfonate, Al(OH)(CH3SO3)2 氢氧化铝甲烷磺酸盐Al(OH)(CH3SO3)2的合成及晶体结构测定。

IF 0.5

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026005578

Eric Gabilondo, P. Shiv Halasyamani

引用次数: 0

Crystal structure of clofarabine (form I), C10H11ClFN5O3, from synchrotron power diffraction data and density functional theory calculations 从同步功率衍射数据和密度泛函理论计算氯法拉滨（形式I） C10H11ClFN5O3的晶体结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006584

Jacob K. Salazar, James A. Kaduk, Anja Dosen, Thomas N. Blanton

引用次数: 0

Synthesis and crystal structure of γ-SrNCN at 38 GPa 38 GPa γ-SrNCN的合成及晶体结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006080

Lukas Brüning, Georg Krach, Pascal Lennert Jurzick, Wolfgang Schnick, Maxim Bykov

引用次数: 0

A new supramolecular cobalt(II) complex based on 1,10-phenanthroline and 4-nitrophthalate ligands 基于1,10-邻菲罗啉和4-邻苯二甲酸硝基配体的新型超分子钴（II）配合物。

IF 0.5

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006419

Naima Karimova, Maftuna Primkulova, Lidiya Izotova, Gulvar Muqumova, Jabbor Suyunov, Nurmuhammad Boltayev

{"title":"A new supramolecular cobalt(II) complex based on 1,10-phenanthroline and 4-nitrophthalate ligands","authors":"Naima Karimova, Maftuna Primkulova, Lidiya Izotova, Gulvar Muqumova, Jabbor Suyunov, Nurmuhammad Boltayev","doi":"10.1107/S2056989026006419","DOIUrl":"10.1107/S2056989026006419","url":null,"abstract":"<div><div>The title compound, bis(μ-2-carboxy-4-nitrobenzoato-κ2O1:O1′)bis[bis(1,10-phenanthroline-κ2N,N′)cobalt(II)] bis(2-carboxy-4-nitrobenzoate) tetrahydrate, [Co2(C8H4NO6)2(C12H8N2)4](C8H4NO6)2·4H2O, comprises a centrosymmetric dinuclear cobalt(II) complex dication, two hydrogen 4-nitrophthalate anions and four water molecules of crystallization. The two CoII atoms are linked by two μ-hydrogen 4-nitrophthalato ligands, generating a centrosymmetric dinuclear unit. Each cobalt(II) centre adopts a distorted octahedral coordination geometry defined by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from two symmetry-related bridging hydrogen 4-nitrophthalate ligands. In the crystal, O—H⋯O and C—H⋯O hydrogen bonds link the ionic components into a three-dimensional supramolecular framework, which is further reinforced by aromatic π–π stacking interactions between neighbouring phenanthroline and hydrogen 4-nitrophthalate rings, with centroid-to-centroid separations ranging from 3.501 (5) to 3.687 (4) Å. Hirshfeld surface analysis shows that O⋯H/H⋯O contacts make the largest contribution (38.1%) to the crystal packing, confirming the dominant role of hydrogen bonding in consolidating the crystal structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 862-865"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Crystal structure of the (1R,2S,5R) diastereomer of acoltremon, C18H27NO2, from synchrotron powder diffraction data and density functional theory calculations C18H27NO2的（1R,2S,5R）非对映体的晶体结构，来自同步加速器粉末衍射数据和密度泛函理论计算。

IF 0.5

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006572

Jacob K. Salazar, James A. Kaduk, Anja Dosen, Thomas N. Blanton

引用次数: 0

Synthesis and structure of 4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]phenyl 4-(tetradecyloxy)benzoate 4-[（2,3,4,5,6-五氟-苯氧基）碳基]苯基4-（四癸氧基）苯甲酸酯的合成与结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006213

Khaleel Ahmed, H. C. Devarajegowda, B. Bommalingaiah, G. N. Venkatareddy, H. T. Srinivasa, B. S. Palakshamurthy

引用次数: 0